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exo-1-(3-Thiatricyclo[3.2.1.0(2,4)]oct-6-yl)-ethanone
SpectraBase Compound ID IqczZnqorMW
InChI InChI=1S/C9H12OS/c1-4(10)6-2-5-3-7(6)9-8(5)11-9/h5-9H,2-3H2,1H3/t5-,6+,7-,8-,9+/m1/s1
InChIKey ZPLHUGLQXKAERH-WUNNTHRKSA-N
Mol Weight 168.25 g/mol
Molecular Formula C9H12OS
Exact Mass 168.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LdQf9DQRmAL
Name exo-1-(3-Thiatricyclo[3.2.1.0(2,4)]oct-6-yl)-ethanone
Alternate Name(s) 1-((1S,2R,4S,5R,6R)-3-thiatricyclo[3.2.1.0(2,4)]octan-6-yl)ethan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12OS
InChI InChI=1S/C9H12OS/c1-4(10)6-2-5-3-7(6)9-8(5)11-9/h5-9H,2-3H2,1H3/t5-,6+,7-,8-,9+/m1/s1
InChIKey ZPLHUGLQXKAERH-WUNNTHRKSA-N
Literature Reference DOI 10.1039/C5CC01570G
Molecular Weight 168.254 g/mol
SMILES [C@]1([C@]2(C[C@@](C1)([C@@]1([C@]2(S1)[H])[H])[H])[H])(C(C)=O)[H]
SPLASH splash10-014j-5900000000-d325d68cebe3b156a6ac
Source of Spectrum KD-51-8821/SM5-4f
Wiley ID 1803694